HEPT derivative
TL;DR: HEPT derivative (CAS 125059-91-8) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-4-sulfanylidenepyrimidin-2-one
Also Known As: HEPT derivative, 1-[(2-Hydroxyethoxy)methyl]-6-phenylthio-4-thiouracil, 2(1H)-Pyrimidinone, 3,4-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-4-thioxo-, 3-[2-(3-methylpyrazin)yl]-1,2,5,6-tetrahydropyridine, 3-[2-(6-methylpyrazin)yl]-1,2,5,6-tetrahydropyridine
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.02349 |
| Topological Polar Surface Area | 67.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 667.30676 |
Chemical Identifiers
| CAS Number | 125059-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=S)NC(=O)N2COCCO |
Product Overview
HEPT derivative (CAS 125059-91-8), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of HEPT derivative
Property Insights of HEPT derivative
The XLogP value of 2.02349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT derivative. The TPSA of 67.25 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT derivative. Following Lipinski's Rule of Five, HEPT derivative has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HEPT derivative?
The CAS number of HEPT derivative is 125059-91-8.
What is the molecular formula of HEPT derivative?
The molecular formula of HEPT derivative is C13H14N2O3S2.
What is the molecular weight of HEPT derivative?
The molecular weight of HEPT derivative is 310.04 g/mol.
Where can I buy HEPT derivative?
You can request a quote for HEPT derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HEPT derivative?
Yes, KEHONG BIO provides custom synthesis services for HEPT derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.